SCHEMBL725464

SCHEMBL725464

CCN(CC)CC(=O)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.62
ALDH1A1 P00352 4/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 2/20 0.60
AGTR1 P30556 1/20 0.60
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL727468 0.98 GSK3B (0.61) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL3712653 0.81 HDAC3 (0.61) GSK3BALDH1A1MAPTKDM4EHDAC3
SCHEMBL20524442 0.81 HDAC3 (0.53) GSK3BALDH1A1MAPTHDAC3HDAC4
SCHEMBL459470 0.79 KMT2A (0.70) GSK3BALDH1A1MAPTHDAC3HDAC4
SCHEMBL11752956 0.78 MAPT (0.64) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL11754117 0.78 ALDH1A1 (0.64) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL20524445 0.77 HDAC3 (0.56) GSK3BALDH1A1MAPTHDAC3HDAC4
SCHEMBL4101059 0.77 ALDH1A1 (0.79) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL202055 0.77 GSK3B (1.00) GSK3BALDH1A1MAPTHDAC3HDAC4
SCHEMBL16552644 0.77 MMP1 (0.76) GSK3BALDH1A1MAPTHDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed